{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.142624 0.238819 0.207495 ] [ 0.384805 0.300658 0.728807 ] [ 0.60119 0.697554 0.267702 ] [ 0.91271 0.7657 0.792328 ] [ 0.000529 0.499861 0.505115 ] [ 0.760381 0.995407 0.0006 ] [ 0.496347 0.001734 0.497537 ] [ 0.000469 0.998023 0.504992 ] [ 0.109422 0.710444 0.250718 ] [ 0.386602 0.760326 0.794494 ] [ 0.618484 0.238713 0.204883 ] [ 0.877382 0.2893 0.749954 ] [ 0.00917 0.228844 0.636973 ] [ 0.176355 0.875785 0.741545 ] [ 0.994875 0.802299 0.058993 ] [ 0.323497 0.567159 0.700922 ] [ 0.51491 0.238065 0.991493 ] [ 0.110758 0.497096 0.253682 ] [ 0.237769 0.098791 0.474043 ] [ 0.547084 0.874491 0.730131 ] [ 0.354102 0.781469 0.342394 ] [ 0.629999 0.227555 0.639555 ] [ 0.450313 0.143159 0.268216 ] [ 0.755865 0.900846 0.52497 ] [ 0.892941 0.502153 0.745149 ] [ 0.512064 0.763628 0.007775 ] [ 0.686078 0.432842 0.298597 ] [ 0.957621 0.19479 0.941059 ] [ 0.821011 0.111047 0.262565 ] [ 0.992835 0.763438 0.377316 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.86595067 "source-unit" "angstrom" } "b" { "source-value" 7.12109601 "source-unit" "angstrom" } "c" { "source-value" 7.89938345 "source-unit" "angstrom" } "alpha" { "source-value" 89.54649972 "source-unit" "degree" } "beta" { "source-value" 115.67569732 "source-unit" "degree" } "gamma" { "source-value" 92.18940889 "source-unit" "degree" } }